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Magnesium in PDB 6qrv: X-Ray Radiation Dose Series on Xylose Isomerase - 2.63 Mgy

Enzymatic activity of X-Ray Radiation Dose Series on Xylose Isomerase - 2.63 Mgy

All present enzymatic activity of X-Ray Radiation Dose Series on Xylose Isomerase - 2.63 Mgy:
5.3.1.5;

Protein crystallography data

The structure of X-Ray Radiation Dose Series on Xylose Isomerase - 2.63 Mgy, PDB code: 6qrv was solved by H.Taberman, C.S.Bury, M.J.Van Der Woerd, E.H.Snell, E.F.Garman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.72 / 1.17
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 92.567, 97.577, 102.560, 90.00, 90.00, 90.00
R / Rfree (%) 10.4 / 12.4

Other elements in 6qrv:

The structure of X-Ray Radiation Dose Series on Xylose Isomerase - 2.63 Mgy also contains other interesting chemical elements:

Manganese (Mn) 4 atoms
Sodium (Na) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the X-Ray Radiation Dose Series on Xylose Isomerase - 2.63 Mgy (pdb code 6qrv). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the X-Ray Radiation Dose Series on Xylose Isomerase - 2.63 Mgy, PDB code: 6qrv:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 6qrv

Go back to Magnesium Binding Sites List in 6qrv
Magnesium binding site 1 out of 2 in the X-Ray Radiation Dose Series on Xylose Isomerase - 2.63 Mgy


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray Radiation Dose Series on Xylose Isomerase - 2.63 Mgy within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg416

b:9.9
occ:0.46
MN A:MN415 0.2 14.4 0.5
HO2 A:EDO401 1.5 18.1 1.0
OE1 A:GLU217 1.7 8.0 0.1
OE2 A:GLU181 2.0 13.0 1.0
OE1 A:GLU217 2.0 11.8 0.9
OD2 A:ASP245 2.0 13.3 1.0
OD2 A:ASP287 2.1 13.2 1.0
O2 A:EDO401 2.3 15.1 1.0
O A:HOH671 2.3 19.5 0.7
CD A:GLU217 2.9 7.9 0.1
CD A:GLU181 3.0 12.4 1.0
CG A:ASP287 3.1 11.0 1.0
CG A:ASP245 3.2 11.8 1.0
CD A:GLU217 3.3 10.0 0.9
OE1 A:GLU181 3.3 14.0 1.0
C2 A:EDO401 3.3 16.4 1.0
HB2 A:GLU217 3.4 10.1 0.9
HB3 A:ASP287 3.4 12.3 1.0
H22 A:EDO401 3.4 19.7 1.0
HB2 A:GLU217 3.5 9.5 0.1
HB2 A:ASP287 3.5 12.3 1.0
OE2 A:GLU217 3.6 8.0 0.1
H21 A:EDO401 3.6 19.7 1.0
CB A:ASP287 3.6 10.3 1.0
HE1 A:HIS220 3.6 12.0 0.7
HB3 A:ASP245 3.6 12.6 1.0
MN A:MN414 3.7 9.3 0.1
CB A:ASP245 3.9 10.5 1.0
HB2 A:ASP245 3.9 12.6 1.0
CG A:GLU217 3.9 7.8 0.1
HE1 A:HIS220 4.0 10.9 0.3
O A:HOH574 4.0 16.5 1.0
O A:HOH709 4.0 17.0 0.9
CG A:GLU217 4.1 9.2 0.9
CB A:GLU217 4.1 8.4 0.9
HG3 A:GLU217 4.1 9.4 0.1
CE1 A:HIS220 4.1 10.0 0.7
HG3 A:GLU217 4.1 11.1 0.9
CB A:GLU217 4.1 7.9 0.1
OE2 A:GLU217 4.2 10.3 0.9
OD1 A:ASP245 4.2 13.2 1.0
OD1 A:ASP287 4.2 11.1 1.0
CE1 A:HIS220 4.3 9.1 0.3
CG A:GLU181 4.3 11.6 1.0
O A:HOH727 4.4 77.7 0.9
HD21 A:ASN215 4.4 15.2 1.0
HB3 A:GLU217 4.4 10.1 0.9
NE2 A:HIS220 4.5 9.2 0.3
HG3 A:GLU181 4.5 13.9 1.0
HB3 A:GLU217 4.5 9.5 0.1
HG2 A:GLU181 4.5 13.9 1.0
HZ2 A:TRP16 4.6 13.2 1.0
HD22 A:ASN215 4.7 15.2 1.0
C1 A:EDO401 4.7 16.4 1.0
NE2 A:HIS220 4.7 10.3 0.7
HG2 A:GLU217 4.7 9.4 0.1
MN A:MN414 4.7 10.9 0.4
MN A:MN414 4.8 11.1 0.6
ND1 A:HIS220 4.8 9.5 0.7
H12 A:EDO401 4.8 19.7 1.0
ND2 A:ASN215 4.8 12.7 1.0
HO1 A:EDO409 4.8 72.5 1.0
HD1 A:HIS220 4.9 11.4 0.7
HG2 A:GLU217 4.9 11.1 0.9

Magnesium binding site 2 out of 2 in 6qrv

Go back to Magnesium Binding Sites List in 6qrv
Magnesium binding site 2 out of 2 in the X-Ray Radiation Dose Series on Xylose Isomerase - 2.63 Mgy


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of X-Ray Radiation Dose Series on Xylose Isomerase - 2.63 Mgy within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg417

b:18.7
occ:0.53
O A:HOH618 2.0 21.3 0.9
O A:HOH967 2.1 36.3 1.0
O A:HOH987 2.1 38.2 0.8
O A:HOH649 2.1 23.0 0.9
O A:HOH888 3.5 0.2 1.0
O A:HOH1001 3.9 59.0 0.9
O A:HOH774 4.0 25.6 0.9
H11 A:EDO406 4.1 65.6 1.0
OD2 A:ASP153 4.3 13.6 1.0
OD1 A:ASP153 4.3 14.3 1.0
O A:HOH955 4.3 79.2 1.0
CG A:ASP153 4.7 12.3 1.0
O A:HOH520 4.8 58.0 1.0
O A:HOH867 4.9 57.2 1.0
C1 A:EDO406 4.9 54.7 1.0
H21 A:EDO406 5.0 65.0 1.0

Reference:

H.Taberman, C.S.Bury, M.J.Van Der Woerd, E.H.Snell, E.F.Garman. Structural Knowledge or X-Ray Damage? A Case Study on Xylose Isomerase Illustrating Both. J.Synchrotron Radiat. V. 26 931 2019.
ISSN: ESSN 1600-5775
PubMed: 31274415
DOI: 10.1107/S1600577519005599
Page generated: Tue Oct 1 15:33:55 2024

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